Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil collagenase' and Ligand = 'BDBM50389099'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neutrophil collagenase (Homo sapiens (Human))	BDBM50389099 (CHEMBL2064544) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(OCCOCCOCCOCCn2cc(COCCOCCOCCOCCOCCF)nn2)cc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C40H62FN5O14S/c1-33(2)39(40(47)43-48)46(61(49,50)38-10-8-36(51-3)9-11-38)30-34-4-6-37(7-5-34)60-29-28-58-25-24-55-19-17-53-15-13-45-31-35(42-44-45)32-59-27-26-57-23-22-56-21-20-54-18-16-52-14-12-41/h4-11,31,33,39,48H,12-30,32H2,1-3H3,(H,43,47)/t39-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital M£nster Curated by ChEMBL					Assay Description Inhibition of MMP8 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)Ala-Arg-NH2 as substrate incuba...				J Med Chem 55: 4714-27 (2012) Article DOI: 10.1021/jm300199g BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
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